General Information of the Compound
| Compound ID |
CP0556431
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8637501, 37
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H18F3N5O
|
||||||||||||||||||
| Molecular Weight |
425.414
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc(nn1)-c1ccn(-c2ccc3c4CNCCCc4[nH]c3c2)c(=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H18F3N5O/c23-22(24,25)20-6-5-17(28-29-20)13-7-9-30(21(31)10-13)14-3-4-15-16-12-26-8-1-2-18(16)27-19(15)11-14/h3-7,9-11,26-27H,1-2,8,12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
GAYSMCUFKTXCKV-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound